N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide

C16H22N2O — CID 43595183

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCNC3(CCC3)C2)cc1
InChIInChI=1S/C16H22N2O/c1-12-3-5-13(6-4-12)15(19)18-14-7-10-17-16(11-14)8-2-9-16/h3-6,14,17H,2,7-11H2,1H3,(H,18,19)
InChIKeyJKZJUXAMTUIXDO-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.40
Rot. Bonds2

About N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide

N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide (PubChem CID 43595183) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide
PubChem CID43595183
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCNC3(CCC3)C2)cc1
InChIInChI=1S/C16H22N2O/c1-12-3-5-13(6-4-12)15(19)18-14-7-10-17-16(11-14)8-2-9-16/h3-6,14,17H,2,7-11H2,1H3,(H,18,19)
InChIKeyJKZJUXAMTUIXDO-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide
CID 43595670
N-(5-azaspiro[3.5]nonan-8-yl)-4-hydroxybenzamide
CID 43595256
N-(5-azaspiro[3.5]nonan-8-yl)-5-methylfuran-2-carboxamide
CID 43595224
N-(5-azaspiro[3.5]nonan-8-yl)-3,5-difluorobenzamide
CID 43595353
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide
CID 81477428
N-(5-azaspiro[3.5]nonan-8-yl)-2,6-difluorobenzamide
CID 43595348
N-(5-azaspiro[3.5]nonan-8-yl)-5-chlorothiophene-2-carboxamide
CID 62276505
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-(5-azaspiro[3.5]nonan-8-yl)-2-chlorofuran-3-carboxamide
CID 106688425
N-(5-azaspiro[3.5]nonan-8-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 43595235
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-(5-azaspiro[3.5]nonan-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476927

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide (CID 43595183) is N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCNC3(CCC3)C2)cc1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide?
The InChIKey is JKZJUXAMTUIXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-3-5-13(6-4-12)15(19)18-14-7-10-17-16(11-14)8-2-9-16/h3-6,14,17H,2,7-11H2,1H3,(H,18,19).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide?
N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide has a molecular weight of 258.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide is sourced from PubChem (CID 43595183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).